8004-7656 Screening compound: 2-[(9R,16R,17R)-9-fluoro-10,13,17-trimethyl-3-oxo-11,16-bis(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl propionate

8004-7656 Screening compound: 2-[(9R,16R,17R)-9-fluoro-10,13,17-trimethyl-3-oxo-11,16-bis(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl propionate
8004-7656 Screening compound: 2-[(9R,16R,17R)-9-fluoro-10,13,17-trimethyl-3-oxo-11,16-bis(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7656
2-[(9R,16R,17R)-9-fluoro-10,13,17-trimethyl-3-oxo-11,16-bis(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl propionate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8004-7656

Molecular Formula

C31H41FO8 (C31 H41 FO8)

Compound Name

2-[(9R,16R,17R)-9-fluoro-10,13,17-trimethyl-3-oxo-11,16-bis(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl propionate

IUPAC name

2-[(1R2R9bR)-9b-fluoro-19a11a-trimethyl-7-oxo-210-bis(propanoyloxy)-1H2H3H3aH3bH4H5H7H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl propanoate

SMILES

CCC(OCC([C@@](C)([C@@H](C1)OC(CC)=O)C(C)(CC2OC(CC)=O)C1C(CCC(C1(C)C=C3)=CC3=O)[C@@]12F)=O)=O

InChI

InChI=1S/C31H41FO8/c1-7-25(35)38-17-22(34)30(6)23(39-26(36)8-2)15-21-20-11-10-18-14-19(33)12-13-28(18,4)31(20,32)24(16-29(21,30)5)40-27(37)9-3/h12-14,20-21,23-24H,7-11,15-17H2,1-6H3/t20?,21?,23-,24?,28?,29?,30-,31-/m0/s1

InChI Key

NPKLZMKETIIPBI-WIXSDQOVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-5.02

Polar Surface Area

86.711

Acid Dissociation Constant (pKa)

23.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

70.97

8004-7656 in Drug Discovery

Included in Screening Libraries

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-7656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7656?
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What is the minimum amount of 8004-7656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7656
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8004-7656 available by request